ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-1,2-oxazole-5-carboxamide | C32H32N8O3

N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-1,2-oxazole-5-carboxamide

  • Molecular FormulaC32H32N8O3
  • Average mass576.648 Da
  • Monoisotopic mass576.259766 Da
  • ChemSpider ID90644827

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Isoxazolecarboxamide, N-[2-(dimethylamino)ethyl]-N-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-1,2-oxazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-1,2-oxazole-5-carboxamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-N-{4-[(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)carbamoyl]benzyl}-1,2-oxazole-5-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 86.87
Polar Surface Area: 129 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 444.4±3.0 cm3

Click to predict properties on the Chemicalize site


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